N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide

C25H32FN3O4 — CID 90616960

IUPACN-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc(OC)c1
InChIInChI=1S/C25H32FN3O4/c1-31-21-15-18(16-22(17-21)32-2)27-25(30)29-11-7-19(8-12-29)28-13-9-20(10-14-28)33-24-6-4-3-5-23(24)26/h3-6,15-17,19-20H,7-14H2,1-2H3,(H,27,30)
InChIKeyPRBKMXTYFUIXKH-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.38
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide (PubChem CID 90616960) has the molecular formula C25H32FN3O4 and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
PubChem CID90616960
Molecular FormulaC25H32FN3O4
Molecular Weight457.55 g/mol
Exact Mass457.24
IUPAC NameN-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc(OC)c1
InChIInChI=1S/C25H32FN3O4/c1-31-21-15-18(16-22(17-21)32-2)27-25(30)29-11-7-19(8-12-29)28-13-9-20(10-14-28)33-24-6-4-3-5-23(24)26/h3-6,15-17,19-20H,7-14H2,1-2H3,(H,27,30)
InChIKeyPRBKMXTYFUIXKH-UHFFFAOYSA-N
XLogP4.38
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 90616963
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90616897
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
(4-chlorophenyl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616739
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616875
N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161054
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
CID 90617030
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide (CID 90616960) is N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide?
The InChIKey is PRBKMXTYFUIXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O4/c1-31-21-15-18(16-22(17-21)32-2)27-25(30)29-11-7-19(8-12-29)28-13-9-20(10-14-28)33-24-6-4-3-5-23(24)26/h3-6,15-17,19-20H,7-14H2,1-2H3,(H,27,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90616960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).